tmat_test.cc File Reference

Tests the kinetic energy matrix construction. More...

#include <stdio.h>
#include <unistd.h>
#include <memory>
#include <limits>
#include "integrals_1el_kinetic.h"
#include "memorymanag.h"
#include "matInclude.h"

Functions
int	main (int argc, char *argv[])

Detailed Description

Tests the kinetic energy matrix construction.

The purpose of the test in its current form is mostly to verify compilation correctness.

Function Documentation

main()

int main	(	int	argc,
		char *	argv[] )

References Molecule::addAtom(), BasisInfoStruct::addBasisfuncsForMolecule(), compute_T_matrix_full(), ergo_free(), ergo_new, ERGO_SPREFIX, mat::getMachineEpsilon(), BasisInfoStruct::noOfBasisFuncs, and template_blas_fabs().